Geometry & MOs

Info

ID:	391111
PubChem CID:	135002887
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-44.09
Dipole, Da:	4.64
IP(EA), eV:	-8.29(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl (4aS,5R,10bS)-7-hydroxy-1-methyl-4a,5,6,10b-tetrahydro-4H-benzo[h][1,6]naphthyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N[C@@H](CC2N3CCCC3=O)C4=CC=CO4

DOS

IR

Vibrations